4-[3-(3-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-N-(prop-2-en-1-yl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-[3-(3-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-N-(prop-2-en-1-yl)-1,4-diazepane-1-carboxamide
4-[3-(3-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-N-(prop-2-en-1-yl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V021-8197 |
| Compound Name: | 4-[3-(3-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-N-(prop-2-en-1-yl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C25 H27 N7 O2 |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)c1nnc2c3ccccc3nc(N3CCCN(CC3)C(NCC=C)=O)n12 |
| Stereo: | ACHIRAL |
| logP: | 3.6478 |
| logD: | 3.599 |
| logSw: | -4.0969 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.58 |
| InChI Key: | AXTZPHGUPPPQSN-UHFFFAOYSA-N |